LaP5
LaP5 is a stable semiconducting compound formed from lanthanum and phosphorus.
About LaP5
LaP5 is a semiconducting binary compound composed of lanthanum and phosphorus. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within the lanthanum-phosphorus system.
Its electronic nature makes it a subject of interest for researchers investigating phosphorus-rich materials. The compound is characterized by significant structural diversity, with multiple reported configurations documented across various material databases.
Key Properties
Cross-validated computational properties for LaP5, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaP5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LaP5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.32 | 0.0000 | -13.138 | 3.71 |
| — | — | 0.26 | 0.0000 | -0.777 | — |
| P21/m (No. 11) | monoclinic | 0.11 | 0.0000 | -5.900 | 3.77 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0000 | -0.644 | — |
| P21/m (No. 11) | monoclinic | 0.17 | 0.0004 | -13.137 | 3.83 |
| — | — | 0.00 | 0.0024 | -0.775 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 3.81 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.77 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.84 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.84 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.90 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.87 |
Applications
Where LaP5 is used.
Frequently Asked Questions
Common questions about LaP5, answered from cross-validated data.
What is LaP5?
LaP5 is a stable semiconducting compound formed from lanthanum and phosphorus.
What is LaP5 used for?
What is the band gap of LaP5?
Is LaP5 a metal, semiconductor, or insulator?
Is LaP5 thermodynamically stable?
What is the crystal structure of LaP5?
What is the density of LaP5?
How many polymorphs of LaP5 are known?
What elements does LaP5 contain?
Where does the data for LaP5 come from?
How It Compares
As a member of the lanthanum phosphide family, LaP5 stands out for its thermodynamic stability and distinct semiconducting behavior, positioning it as a reliable candidate for further experimental investigation into phosphorus-rich inorganic semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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